TimTec1_006755
TL;DR: TimTec1_006755 (CAS 332409-57-1) is a chemical compound with molecular formula C17H17N3O and molecular weight 279.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-methyl-8-oxo-1,13-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-2(7),3,5,9(16)-tetraen-13-yl)acetonitrile
Also Known As: TimTec1_006755, BAS 00454696, AH-262/31831059, BRD-A31819937-001-08-4, (8-Methyl-6-oxo-1,2,3a,4,5,6-hexahydro-3H-3,10b-diazaacephenanthrylen-3-yl)acetonitrile
| Molecular Formula | C17H17N3O |
|---|---|
| Molecular Weight | 279.14 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 47.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 279.13718 |
| Heavy Atoms | 21 |
| Complexity | 558.0 |
Chemical Identifiers
| CAS Number | 332409-57-1 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N3CCN(C4C3=C(C2=O)CC4)CC#N |
| InChIKey | OKSRFBBVDPIMHK-UHFFFAOYSA-N |
Product Overview
TimTec1_006755 (CAS 332409-57-1), with molecular formula C17H17N3O and molecular weight 279.14 g/mol. IUPAC: 2-(5-methyl-8-oxo-1,13-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-2(7),3,5,9(16)-tetraen-13-yl)acetonitrile.
Chemical Property Profile of TimTec1_006755
Property Insights of TimTec1_006755
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TimTec1_006755. With a topological polar surface area (TPSA) of 47.3 Ų, TimTec1_006755 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, TimTec1_006755 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of TimTec1_006755?
The CAS number of TimTec1_006755 is 332409-57-1.
What is the molecular formula of TimTec1_006755?
The molecular formula of TimTec1_006755 is C17H17N3O.
What is the molecular weight of TimTec1_006755?
The molecular weight of TimTec1_006755 is 279.14 g/mol.
Where can I buy TimTec1_006755?
You can request a quote for TimTec1_006755 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_006755?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_006755 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.